1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine

C8H15NS — CID 84650655

IUPAC1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine
SMILESCC(N)CC1=CCSCC1
InChIInChI=1S/C8H15NS/c1-7(9)6-8-2-4-10-5-3-8/h2,7H,3-6,9H2,1H3
InChIKeyDCQYSNRCMFIFNS-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.79
Rot. Bonds2

About 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine

1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine (PubChem CID 84650655) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine
PubChem CID84650655
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine
SMILESCC(N)CC1=CCSCC1
InChIInChI=1S/C8H15NS/c1-7(9)6-8-2-4-10-5-3-8/h2,7H,3-6,9H2,1H3
InChIKeyDCQYSNRCMFIFNS-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
CID 71166153
(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine
CID 89002712
4-(5-Methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 89386906
4-Methylsulfanylcyclohex-2-en-1-amine
CID 90346905
2-Ethylsulfanylcyclohex-3-en-1-amine
CID 90863716
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-amine
CID 134568448
(1S,5R)-2-but-1-en-2-ylsulfanyl-5-methylcyclohex-3-en-1-amine
CID 137432486
2-[(4-Methylcyclohexa-1,3-dien-1-yl)methylsulfanyl]ethanamine
CID 142068147
2,3,4,5-Tetrahydro-1-benzothiophen-4-amine
CID 142477804
ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine
CID 143657128
ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine
CID 143657139
But-1-ene;1-(4-hept-6-enylsulfanyl-2-methylcyclohexa-1,5-dien-1-yl)propan-2-amine;2-methylprop-1-ene
CID 143703341

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine?
The IUPAC name of 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine (CID 84650655) is 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine?
The canonical SMILES for 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine is CC(N)CC1=CCSCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine?
The InChIKey is DCQYSNRCMFIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(9)6-8-2-4-10-5-3-8/h2,7H,3-6,9H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine?
1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine has a molecular weight of 157.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine is sourced from PubChem (CID 84650655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).